Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Methylphenylsulfide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 4/20 | 0.37 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.37 |
| ▸ | SLC6A4 known ✓ | P31645 | 6/20 | 0.36 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Methylphenylsulfide SCHEMBL19639862 | 0.84 | DPP4 (0.39) | ALDH1A1MEN1KMT2ACYP1A2SMN1; SMN2 | |
| Methylphenylsulfide SCHEMBL28140207 | 0.83 | — | — | |
| Methylphenylsulfide SCHEMBL21243317 | 0.80 | ACHE (0.50) | ALDH1A1MEN1KMT2ACYP1A2CYP2C19 | |
| Methylphenylsulfide SCHEMBL22558244 | 0.80 | DPP4 (0.37) | ALDH1A1MEN1KMT2ACYP1A2SMN1; SMN2 | |
| Methylphenylsulfide SCHEMBL4902407 | 0.80 | — | — | |
| Methylphenylsulfide SCHEMBL27951695 | 0.80 | MAPT (0.53) | ALDH1A1MEN1KMT2APTGS2CYP1A2 | |
| Methylphenylsulfide SCHEMBL7584 | 0.80 | — | — | |
| Methylphenylsulfide SCHEMBL27970000 | 0.80 | MAPT (0.53) | ALDH1A1MEN1KMT2APTGS2CYP1A2 | |
| Methylphenylsulfide SCHEMBL1332325 | 0.80 | — | — | |
| Methylphenylsulfide SCHEMBL4456412 | 0.77 | MAPT (0.50) | ALDH1A1MAOAMAOBMEN1KMT2A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009100348-A2 | PEPTIDES AND PEPTIDE MIMETICS TO TREAT PATHOLOGIES ASSOCIATED WITH EYE DISEASE | UAB RESEARCH FOUNDATION (US) | 2009-08-13 | — | — | WO | disclosed |
| WO-2009073725-A2 | PEPTIDES AND PEPTIDE MIMETICS TO TREAT PATHOLOGIES CHARACTERIZED BY AN INFLAMMATORY RESPONSE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-06-11 | — | — | WO | disclosed |
| EP-1890715-A2 | PEPTIDES AND PEPTIDE MIMETICS TO TREAT PATHOLOGIES CHARACTERIZED BY AN INFLAMMATORY RESPONSE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2008-02-27 | — | — | EP | disclosed |
| EP-1799242-A2 | G-TYPE PEPTIDES AND OTHER AGENTS TO AMELIORATE ATHEROSCLEROSIS AND OTHER PATHOLOGIES | The Regents of the University of California (US) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006118805-A9 | PEPTIDES AND PEPTIDE MIMETICS TO TREAT PATHOLOGIES CHARACTERIZED BY AN INFLAMMATORY RESPONSE | UNIV CALIFORNIA (US) | 2007-01-18 | — | — | WO | disclosed |
| WO-2006118805-A2 | PEPTIDES AND PEPTIDE MIMETICS TO TREAT PATHOLOGIES CHARACTERIZED BY AN INFLAMMATORY RESPONSE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2006-11-09 | — | — | WO | disclosed |
| WO-2006034056-A2 | G-TYPE PEPTIDES AND OTHER AGENTS TO AMELIORATE ATHEROSCLEROSIS AND OTHER PATHOLOGIES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2006-03-30 | — | — | WO | disclosed |